Electron Distribution in (NH4)2C2O4–H2O and the Structure of the Oxalate Group

1936 ◽  
Vol 4 (2) ◽  
pp. 102-107 ◽  
Author(s):  
S. B. Hendricks ◽  
M. E. Jefferson
Keyword(s):  
Electron Distribution ◽  
Oxalate Group

Study of charge transfer in FeTi

1983 ◽  
Vol 41 ◽  
pp. 296-297
Author(s):  
J. Taft∅
Keyword(s):  
Charge Transfer ◽  
Charge Distribution ◽  
Electron Scattering ◽  
Periodic System ◽  
Electron Distribution ◽  
Scattering Amplitude ◽  
Transition Elements ◽  
Hartree Fock ◽  
Cscl Structure ◽  
The Right

It is well known that for reflections corresponding to large interplanar spacings (i.e., sin θ/λ small), the electron scattering amplitude, f, is sensitive to the ionicity and to the charge distribution around the atoms. We have used this in order to obtain information about the charge distribution in FeTi, which is a candidate for storage of hydrogen. Our goal is to study the changes in electron distribution in the presence of hydrogen, and also the ionicity of hydrogen in metals, but so far our study has been limited to pure FeTi. FeTi has the CsCl structure and thus Fe and Ti scatter with a phase difference of π into the 100-ref lections. Because Fe (Z = 26) is higher in the periodic system than Ti (Z = 22), an immediate “guess” would be that Fe has a larger scattering amplitude than Ti. However, relativistic Hartree-Fock calculations show that the opposite is the case for the 100-reflection. An explanation for this may be sought in the stronger localization of the d-electrons of the first row transition elements when moving to the right in the periodic table. The tabulated difference between fTi (100) and ffe (100) is small, however, and based on the values of the scattering amplitude for isolated atoms, the kinematical intensity of the 100-reflection is only 5.10-4 of the intensity of the 200-reflection.

Electron distribution change of small nickel particles encaged in X zeolite in presence of Ce3+ ions, related to their catalytic properties

1986 ◽  
Vol 83 ◽  
pp. 619-621 ◽  
Author(s):  
F. Vergand ◽  
B. Iraqi ◽  
C. Bonnelle ◽  
E. Ramaroson ◽  
M.F. Guilleux ◽  
...  
Keyword(s):  
Electron Distribution ◽  
Catalytic Properties ◽  
Distribution Change ◽  
Nickel Particles ◽  
X Zeolite

Calculation of spatially inhomogeneous electron distribution functions

1998 ◽  
Vol 08 (PR7) ◽  
pp. Pr7-33-Pr7-42
Author(s):  
L. L. Alves ◽  
G. Gousset ◽  
C. M. Ferreira
Keyword(s):  
Electron Distribution ◽  
Distribution Functions ◽  
Spatially Inhomogeneous

Conformation and electronic structure of aromatic chloroformates

1987 ◽  
Vol 52 (4) ◽  
pp. 970-979 ◽  
Author(s):  
Otto Exner ◽  
Pavel Fiedler
Keyword(s):  
Electronic Structure ◽  
Oxygen Atom ◽  
Strong Interaction ◽  
Electron Distribution ◽  
Room Temperature ◽  
Functional Group ◽  
Dipole Moments ◽  
Carbonyl Oxygen ◽  
Nonpolar Solvents ◽  
Single Method

Aromatic chloroformates Ib-Ie were shown to exist in the ap conformation, in agreement with aliphatic chloroformates, i.e. the alkyl group is situated cis to the carbonyl oxygen atom as it is the case in all esters. While 4-nitrophenyl chloroformate (Ie) is in this conformation in crystal, in solution at most several tenths of percent of the sp conformation may be populated at room temperature and in nonpolar solvents only. A new analysis of dipole moments explained the previous puzzling results and demonstrated the impossibility to determine the conformation by this single method, in consequence of the strong interaction of adjoining bonds. If, however, the ap conformation is once proven, the dipole moments reveal some features of the electron distribution on the functional group, characterized by the enhanced polarity of the C-Cl bond and reduced polarity of the C=O bond. This is in agreement with the observed bond lengths and angles.

Statistical analysis of non-Maxwellian electron distribution functions measured with angularly resolved Thomson scattering

2021 ◽  
Vol 28 (8) ◽  
pp. 082102
Author(s):  
A. L. Milder ◽  
J. Katz ◽  
R. Boni ◽  
J. P. Palastro ◽  
M. Sherlock ◽  
...  
Keyword(s):  
Statistical Analysis ◽  
Electron Distribution ◽  
Thomson Scattering ◽  
Distribution Functions
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